CAS RN: 40700-38-7
4-DIMETHYLAMINO-3-NITROBENZOTRIFLUORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260605 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40700-38-7
- Purity/Analytical Methods: >99.0%
40700-38-7 / N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline
Basic Information
CAS
40700-38-7
Multi CAS
Yes
Molecular Formula
C9F3H9N2O2
Molecular Weight
234.170000
Exact Mass
234.061612
InChI
InChI=1S/C9H9F3N2O2/c1-13(2)7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5H,1-2H3
InChIKey
FDGCMYGPTQRTMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.43
TPSA
46.38
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.3
Consensus LogP
2.45
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
- CAS RN: 40707-01-5
- Product Code: SSC-149045
-
BUTYLHYDRAZINE OXALATE
- CAS RN: 40711-41-9
- Product Code: starshine_CAS40711-41-9
- Purity/Analytical method: >99.0%
-
4-Methyl-6-Trifluoromethyl-Quinoline
- CAS RN: 40716-16-3
- Product Code: starshine_CAS40716-16-3
- Purity/Analytical method: >99.0%
-
Nerolidol
- CAS RN: 40716-66-3
- Product Code: starshine_CAS40716-66-3
- Purity/Analytical method: >99.0%
![CAS 40707-01-5 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40707-01-5.gif)
